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BMRB: 17320

2L6O

NMR structure of the protein YP_926445.1 from Shewanella Amazonensis

Authors

Serrano, P., Geralt, M., Mohanty, B., Horst, R., Wuthrich, K.

Assembly

YP 926445.1

Entity

1. YP 926445.1 (polymer, Thiol state: all free), 114 monomers, 12777.42 Da Detail

MGAGQTPHPQ LIWPALLKQQ GCNELLPLRT NDDWQRFCAD SKHLLQYGDK LVDSNFHCFV LEEDAHWHPA APLPPEGLND LIRAHCATLG HCCTSKMHLH SVMDAIDFLN ALEG

Formula weight

12777.42 Da

Source organism

Shewanella amazonensis

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.3 %, Completeness (bb): 83.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.3 % (1171 of 1311)	96.6 % (655 of 678)	77.8 % (399 of 513)	97.5 % (117 of 120)
Backbone	83.8 % (560 of 668)	97.8 % (222 of 227)	70.1 % (235 of 335)	97.2 % (103 of 106)
Sidechain	95.7 % (718 of 750)	96.0 % (433 of 451)	95.1 % (271 of 285)	100.0 % (14 of 14)
Aromatic	82.5 % (99 of 120)	83.3 % (50 of 60)	80.7 % (46 of 57)	100.0 % (3 of 3)
Methyl	100.0 % (120 of 120)	100.0 % (60 of 60)	100.0 % (60 of 60)

1. YP 926445.1

MGAGQTPHPQ LIWPALLKQQ GCNELLPLRT NDDWQRFCAD SKHLLQYGDK LVDSNFHCFV LEEDAHWHPA APLPPEGLND LIRAHCATLG HCCTSKMHLH SVMDAIDFLN ALEG

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

LACS Plot; CA

Referencing offset: 0.27 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.27 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L6O, Strand ID: A Detail

Release date

2012-07-24

Citation

The J-UNIO protocol for automated protein structure determination by NMR in solution
Serrano, P., Geralt, M., Mohanty, B., Horst, R., Wuthrich, K.
J. Biomol. NMR (2012), 53, 341-354, PubMed 22752932 , DOI 10.1007/s10858-012-9645-2 , Abstract

Related entities 1. YP 926445.1, : 1 : 1 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

3 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

4 3D 1H-13C NOESY (ali)

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

5 3D 1H-15N NOESY (Aro)

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

6 5D APSY-HACACONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

7 4D APSY-HACANH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

8 5D APSY-CBCACONH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		20 mM
2	sodium chloride	natural abundance		50 mM
3	DTT	natural abundance		8 mM
4	sodium azide	natural abundance		4.5 mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

nullKeywords PH10917, Shewanella Amazonensis